Marvin 08100916022D 64 70 0 0 0 0 999 V2000 10.7227 -4.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0053 -4.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0053 -3.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7159 -3.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4332 -3.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4367 -4.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1506 -4.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8646 -4.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8612 -3.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1472 -3.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5771 -3.3101 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.5785 -4.9615 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2880 -3.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5741 -3.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5774 -4.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2947 -4.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8635 -4.9746 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.8601 -3.3264 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9556 -6.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4100 -7.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6022 -7.1413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0566 -7.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3207 -8.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7751 -9.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -8.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7034 -8.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 -7.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4219 -9.6163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6122 -9.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0373 -9.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9185 -11.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1825 -11.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9902 -11.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5359 -11.3740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2543 -12.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7086 -13.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9010 -13.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6369 -12.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6740 -8.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8461 -10.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1097 -10.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -11.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6072 -12.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0613 -12.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4158 -12.4830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.2727 -10.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8183 -9.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5552 -9.1913 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.6270 -10.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6867 -10.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 -11.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4073 -11.7990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3334 -10.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 -8.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8894 -8.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 -8.5151 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.0570 -5.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3145 -6.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1377 -6.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3906 -5.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6237 -6.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7639 -6.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6999 -5.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2507 -5.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 10 9 2 0 0 0 0 5 10 1 0 0 0 0 9 11 1 0 0 0 0 8 12 1 0 0 0 0 3 13 1 0 0 0 0 13 14 2 0 0 0 0 15 14 1 0 0 0 0 16 15 2 0 0 0 0 2 16 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 26 25 1 0 0 0 0 27 26 2 0 0 0 0 22 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 24 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 37 36 1 0 0 0 0 38 37 2 0 0 0 0 32 38 1 0 0 0 0 20 39 2 0 0 0 0 30 40 1 0 0 0 0 40 41 1 0 0 0 0 41 31 1 0 0 0 0 34 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 34 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 2 0 0 0 0 28 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 29 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 1 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 60 59 1 0 0 0 0 1 60 1 0 0 0 0 59 61 2 0 0 0 0 58 62 2 0 0 0 0 62 19 1 0 0 0 0 63 19 2 0 0 0 0 64 63 1 0 0 0 0 57 64 2 0 0 0 0 M CHG 6 11 -1 18 -1 45 -1 48 -1 52 -1 56 -1 M END > CHEBI:52958 > calcium green 1(6-) > A cationic xanthene dye-based amide comjugate. > 3 > calcium green 1 hexacation; calcium green 1 cation > [{2-[2-(2-[bis(carboxylatomethyl)amino]-5-{[(2',7'-dichloro-3',6'-dioxido-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbonyl]amino}phenoxy)ethoxy]phenyl}(carboxylatomethyl)amino]acetate > C43H27Cl2N3O16 > 912.59100 > 911.08013 > -6 > [O-]C(=O)CN(CC([O-])=O)c1ccccc1OCCOc1cc(NC(=O)c2ccc3c(c2)C(=O)OC32c3cc(Cl)c([O-])cc3Oc3cc([O-])c(Cl)cc23)ccc1N(CC([O-])=O)CC([O-])=O > InChI=1S/C43H33Cl2N3O16/c44-27-13-25-34(15-31(27)49)63-35-16-32(50)28(45)14-26(35)43(25)24-7-5-21(11-23(24)42(60)64-43)41(59)46-22-6-8-30(48(19-39(55)56)20-40(57)58)36(12-22)62-10-9-61-33-4-2-1-3-29(33)47(17-37(51)52)18-38(53)54/h1-8,11-16,49-50H,9-10,17-20H2,(H,46,59)(H,51,52)(H,53,54)(H,55,56)(H,57,58)/p-6 > YSQJDHCDTNBIHZ-UHFFFAOYSA-H $$$$